SCHEMBL6014476

SCHEMBL6014476

NC#CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HTR2A P28223 2/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 6/20 0.44
MAOA P21397 5/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 2/20 0.43
NPC1 O15118 1/20 0.43
KDM1A O60341 1/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6014414 0.86 MAOA (0.50) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL9303814 0.85 ALDH1A1 (0.52) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL6014367 0.85 MAOA (0.54) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL6014561 0.83 MAOA (0.52) HTR2AMAOBMAOA
SCHEMBL6014606 0.83 MAOA (0.52) HTR2AMAOBMAOA
SCHEMBL6738643 0.80 ALDH1A1 (0.48) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL3918835 0.79 HTR2A (0.52) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL8556531 0.79 HTR2A (0.58) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL5700795 0.76 FFAR1 (0.49) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2
SCHEMBL28383643 0.76 ALDH1A1 (0.50) SMN1; SMN2HTR2ACYP2A6TAAR1LOXL2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956182-B HDAC/MAO-B dual inhibitor and preparation and application thereof 杭州师范大学 2023-11-17 CN disclosed
CN-113956182-A HDAC/MAO-B dual inhibitor and preparation and application thereof 杭州师范大学 2022-01-21 CN disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SMN1; SMN2 4023/4885HTR2A 2034/4885CYP2A6 316/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SMN1; SMN2 4023/4885HTR2A 2034/4885CYP2A6 316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.